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Information card for entry 7131771
Preview
| Coordinates | 7131771.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ToTr014_ToTr |
|---|---|
| Formula | C82 H98 Be2 N4 O |
| Calculated formula | C82 H98 Be2 N4 O |
| Title of publication | Dibenzoberylloles: antiaromatic s-block fluorene analogues |
| Authors of publication | Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 21.498 ± 0.006 Å |
| b | 16.76 ± 0.004 Å |
| c | 20.238 ± 0.004 Å |
| α | 90° |
| β | 102.81 ± 0.01° |
| γ | 90° |
| Cell volume | 7110 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.063 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284552 (current) | 2023-06-29 | cif/ Adding structures of 7131768, 7131769, 7131770, 7131771, 7131772, 7131773, 7131774, 7131775 via cif-deposit CGI script. |
7131771.cif |
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Users of the data should acknowledge the original authors of the
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